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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ADP-ribosylhydrolase ARH3' and Ligand = 'BDBM421555'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421555
PNG
(3-(Cyclopropanecarbonyl)-1-[5-(difluoromethyl)-1,3...)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2c(cn(-c3nnc(s3)C(F)F)c2c1)C(=O)C1CC1
Show InChI InChI=1S/C19H18F2N4O3S2/c1-19(6-7-19)24-30(27,28)11-4-5-12-13(15(26)10-2-3-10)9-25(14(12)8-11)18-23-22-17(29-18)16(20)21/h4-5,8-10,16,24H,2-3,6-7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.50E+5n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421555
PNG
(3-(Cyclopropanecarbonyl)-1-[5-(difluoromethyl)-1,3...)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2c(cn(-c3nnc(s3)C(F)F)c2c1)C(=O)C1CC1
Show InChI InChI=1S/C19H18F2N4O3S2/c1-19(6-7-19)24-30(27,28)11-4-5-12-13(15(26)10-2-3-10)9-25(14(12)8-11)18-23-22-17(29-18)16(20)21/h4-5,8-10,16,24H,2-3,6-7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.50E+5n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair